Cas no 679414-78-9 (2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile)
![2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile structure](https://ossimg.kuujia.com/scimg/679500/679414-78-9x500.png)
679414-78-9 structure
Product Name:2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile
CAS No:679414-78-9
MF:C17H16ClNO3
MW:317.766843795776
CID:2625443
PubChem ID:893879
Update Time:2025-04-21
2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-[[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
- 2-[[2-CHLORO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]METHYL]-BENZONITRILE
- 2-{[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile
- SR-01000266176
- DTXSID20358414
- SR-01000266176-1
- STK199021
- 679414-78-9
- AKOS000335868
- 2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile
-
- Inchi： 1S/C17H16ClNO3/c1-2-21-16-8-12(10-20)7-15(18)17(16)22-11-14-6-4-3-5-13(14)9-19/h3-8,20H,2,10-11H2,1H3
- InChI Key： VQXQKOBJOYDHIK-UHFFFAOYSA-N
- SMILES： ClC1=CC(CO)=CC(=C1OCC1C=CC=CC=1C#N)OCC
Computed Properties
- Exact Mass: 317.0818711Da
- Monoisotopic Mass: 317.0818711Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 383
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 62.5?2
2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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